BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30609

Title: THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF THE RIBBON DISULFIDE ISOMER OF THE NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST ALPHA-CONOTOXIN TxIA

Deposition date: 2019-05-02 Original release date: 2020-05-04

Authors: Clark, R.; Nicke, A.

Citation: El Hamdaoui, Y.; Wu, X.; Clark, R.; Garibaldi, J.; Anangi, R.; Craik, D.; King, G.; Dutertre, S.; Kaas, Q.; Herzig, V.; Nicke, A.. "Structural and functional analysis of E. Coli-expressed 4/7 alpha-conotoxin analogues reveals preferential formation of ribbon isomers"  . ., .-..

Assembly members:
entity_1, polymer, 16 residues, 1663.941 Da.

Natural source:   Common Name: Cloth-of-gold cone   Taxonomy ID: 6494   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus textile"

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GCCSRPPCIANNPDLC

Data sets:
Data typeCount
13C chemical shifts39
15N chemical shifts14
1H chemical shifts95

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 16 residues - 1663.941 Da.

1   GLYCYSCYSSERARGPROPROCYSILEALA
2   ASNASNPROASPLEUCYS

Samples:

sample_1: ribbon TxIA 2 mg/L

sample_2: ribbon TxIA 2 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 280 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis, CCPN - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts